2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine

C14H20N2O — CID 113366572

IUPAC2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine
SMILESNCC(C1CC1)N1CCCOc2ccccc21
InChIInChI=1S/C14H20N2O/c15-10-13(11-6-7-11)16-8-3-9-17-14-5-2-1-4-12(14)16/h1-2,4-5,11,13H,3,6-10,15H2
InChIKeyDWQDSBIVPQLVHD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.01
Rot. Bonds3

About 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine

2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine (PubChem CID 113366572) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine
PubChem CID113366572
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine
SMILESNCC(C1CC1)N1CCCOc2ccccc21
InChIInChI=1S/C14H20N2O/c15-10-13(11-6-7-11)16-8-3-9-17-14-5-2-1-4-12(14)16/h1-2,4-5,11,13H,3,6-10,15H2
InChIKeyDWQDSBIVPQLVHD-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501869
4-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-methylpentan-1-amine
CID 113366656
5-iodo-3,4-dihydro-2H-1,5-benzoxazepine
CID 145151129
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227201
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-2-methylpropan-1-one
CID 112703215
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
3-amino-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylpropan-1-one
CID 62876977
N-(cyclopropylmethyl)-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine
CID 113366675
N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine
CID 113366586
5-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine
CID 112706602
N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide
CID 116657610
2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 13197605

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine (CID 113366572) is 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine is NCC(C1CC1)N1CCCOc2ccccc21.
What is the InChIKey of 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine?
The InChIKey is DWQDSBIVPQLVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-10-13(11-6-7-11)16-8-3-9-17-14-5-2-1-4-12(14)16/h1-2,4-5,11,13H,3,6-10,15H2.
What are the key properties of 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine?
2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine is sourced from PubChem (CID 113366572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).